Compound Detail
CHEMBL431592
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CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCCC)nc3ccn(C(C(=O)OC(C)C)c4ccccc4)c(=O)c32)cc1
Basic Information
| ChEMBL ID | CHEMBL431592 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNDDUGBRNUTRBI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
712.9
MW (Da)
7.01
ALogP
10
HBA
1
HBD
138.6
PSA (Ų)
0.09
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 21.0 | nM | 7.68 | In vitro binding affinity determined against angiotensin II AT1 receptor in rat ... | - |
| Type-2 angiotensin II receptor | IC50 | = | 430.0 | nM | 6.37 | In vitro binding affinity determined against angiotensin II AT2 receptor in rat ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00477-B | Angiotensin II receptor (AT-1) type-1 | 1 |
| - | 10.1016/0960-894X(95)00477-B | Type-2 angiotensin II receptor | 1 |
| - | 10.1016/0960-894X(95)00477-B | Angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine